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Chemical ID: 4852059

Cc1ccc(cc1)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3ccc(c(c3)OC)OC

Chemical ID:

4852059

Name [?]:

4-(3,4-dimethoxybenzoyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(p-tolyl)-5H-pyrrol-2-one

SMILES [?]:

Cc1ccc(cc1)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3ccc(c(c3)OC)OC

InChi [?]:

InChI=1/C24H28N2O5/c1-15-6-8-16(9-7-15)21-20(23(28)24(29)26(21)13-12-25(2)3)22(27)17-10-11-18(30-4)19(14-17)31-5/h6-11,14,21,28H,12-13H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,17,18,31,29,3,7,4,6,23,24,15,14,27,2,5,22,25,26,9,8,20,10,11,16,13,21,19,12,30,28/E:(2,3)(6,7)(8,9)/rA:31cCCCCCCCCCCCONCCNCCOCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s8s11;s13;s14;s15;s16;s16;s10;s9;d20;s20;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₈N₂O₅
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	9.22682
Area:	667.763
Solvation:	-7.46727
Coulombic:	-61.7503

Bond Count [?]

All:	33
Single:	24
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	424.49
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	3.05
LogP (Chemaxon):	-0.3

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value